SMILES:
Cc1ccc2[nH]c3c(cc(-c4cccc(C#N)c4)c(=O)n3C)c2c1Molecular Processing
Molecular formula
C20H15N3O
Molecular weight
313.36
Exact mass
313.1215
XLogP
3.87
TPSA
61.58
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
24
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
95.93
Supplementary Information
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